design

Design of DyIII single-molecule magnets with molecularly installed luminescent thermometers based on bridging [PtII(CN)2(C^N)]− complexes

Inorg. Chem. Front., 2024, 11,7966-7978
DOI: 10.1039/D4QI02373K, Research Article
Pawel J. Bonarek, Mikolaj Zychowicz, Jan Rzepiela, Michal Liberka, Sebastian Baś, Jakub J. Zakrzewski, Szymon Chorazy
Dysprosium(III) single-molecule magnets are bridged within a coordination polymer by Pt(II)-cyanido metalloligands serving as their temperature sensors.
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design

Designing and prototyping a novel biosensor based on a volumetric bar-chart chip for urea detection

Lab Chip, 2024, 24,2298-2305
DOI: 10.1039/D3LC00730H, Paper
Mahdi Samadi Khezri, Mohammad Reza Housaindokht, Mojtaba Firouzi
A volumetric bar-chart chip (V-chip) is a microfluidic device based on distance-based quantitative measurement that visualizes analyte concentration without the need for apparatus or data processing.
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design

A novel ratiometric design of microfluidic paper-based analytical device for the simultaneous detection of Cu2+ and Fe3+ in drinking water using a fluorescent MOF@tetracycline nanocomposite

Lab Chip, 2024, 24,2306-2316
DOI: 10.1039/D3LC01045G, Paper
Sabah H. Al-Jaf, Sameera Sh. Mohammed Ameen, Khalid M. Omer
On-site monitoring of ions in drinking water is essential for safeguarding public health, ensuring high water quality, and preserving the ecological balance of aquatic ecosystems.
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design

Optimization of reaction parameters for the synthesis of natural aroma esters by factorial design

React. Chem. Eng., 2024, 9,2994-3002
DOI: 10.1039/D4RE00265B, Paper
Open Access
Adrian Ioan Dudu, Csaba Paizs, Monica Ioana Toşa
In this study, the synthesis of aroma esters by the direct esterfication of carboxylic acids with aromatic alcohols mediated by lipase B from Candida antarctica encapsulated in a sol–gel matrix in a solvent-free system is presented.
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design

Closed-loop identification of enzyme kinetics applying model-based design of experiments

React. Chem. Eng., 2024, 9,2984-2993
DOI: 10.1039/D4RE00127C, Paper
Leon Hennecke, Lucas Schaare, Mirko Skiborowski, Andreas Liese
This study presents an automated reactor platform for the identification of enzyme kinetic models using model-based design of experiments on the example of the reduction of NAD+ by formate dehydrogenase from Candida boidinii.
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design

Bayesian-optimization-based design of highly active and stable Fe–Cu/SSZ-13 catalysts for the selective catalytic reduction of NOx with NH3

React. Chem. Eng., 2024, 9,3029-3037
DOI: 10.1039/D4RE00327F, Paper
Sanha Lim, Hwangho Lee, Hyun Sub Kim, Jun Seop Shin, Jong Min Lee, Do Heui Kim
Bayesian optimization approach facilitates an efficient optimization of multi-components catalyst for NH3-SCR reaction.
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design

Design and performance evaluation of low-volatility and low-viscosity absorbents for CO2 capture

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00379A, Paper
Ning Ma, Liu Yang, Zhenchang Fang, Kaijia Jiang, Xinling Li, Zhen Huang
This study synthesized a novel homogeneous non-aqueous absorbent and analyzed hydrogen bonds and viscosities, which were rarely studied before.
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design

Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00216D, Paper
Yuting Wan, Yuening Qiu, Jin Zhou, Jinbo Liu, Martien A. Cohen Stuart, Yangfeng Peng, Junyou Wang
Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors.
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design

In silico design of misfolding resistant proteins: the role of structural similarity of a competing conformational ensemble in the optimization of frustration

Soft Matter, 2024, 20,3283-3298
DOI: 10.1039/D4SM00171K, Paper
Bondeepa Saikia, Anupaul Baruah
The degree of similarity of the non-native conformations to the target plays a prominent role in designing misfolding resistant protein sequences.
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design

Interfacial energy as an approach to designing amphipathic surfaces during photopolymerization curing

Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01528A, Paper
Open Access
Sabrina J. Curley, Caroline R. Szczepanski
Photopolymerization induced phase separation (PIPS) is utilized to develop materials in a single step that are hydrophobic on one face and hydrophilic on the other.
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design

Design, synthesis and antiproliferative evaluation of tetrahydro-β-carboline histone deacetylase inhibitors bearing an aliphatic chain linker

RSC Adv., 2024, 14,12762-12771
DOI: 10.1039/D4RA01672F, Paper
Open Access
Jing Shi, Jiayun Wang, Xingjie Wang, Chao Qu, Changchun Ye, Xiuli Li, Xin Chen, Zhengshui Xu
The use of histone deacetylase inhibitors (HDACis) is an effective approach for cancer treatment.
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design

Rational design of a lysosome-targeted fluorescent probe for monitoring the generation of hydroxyl radicals in ferroptosis pathways

RSC Adv., 2024, 14,12864-12872
DOI: 10.1039/D4RA00562G, Paper
Open Access
Lili Zhong, Datian Fu, Jin Xu, Linyan Tan, Haimei Wu, Min Wang
A novel hydrocyanine-based turn-on fluorescence probe HCy-Lyso, with excellent lysosome-targeting ability and ˙OH-responsive efficiency, has been applied for monitoring the variation in lysosomal ˙OH levels during ferroptosis.
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design

Designing biphenanthridine-based singlet fission materials using computational chemistry

Mol. Syst. Des. Eng., 2024, 9,423-435
DOI: 10.1039/D3ME00181D, Paper
Keighlynn A. Veilleux, Georg Schreckenbach, David E. Herbert
A systematic search for novel singlet fission materials based on the recently synthesized 6,6'-biphenanthridine (biphe) framework is reported, utilizing a straightforward computational approach.
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design

3-Perfluoroalkylated fluorescent coumarin dyes: rational molecular design and photophysical properties

Mol. Syst. Des. Eng., 2024, 9,332-344
DOI: 10.1039/D4ME00006D, Paper
Ayano Ikemura, Yukiko Karuo, Yuki Uehashi, Tomohiro Agou, Masahiro Ebihara, Yasuhiro Kubota, Toshiyasu Inuzuka, Masaaki Omote, Kazumasa Funabiki
The photochemical properties of a coumarin derivative with a promising electron-withdrawing fluoroalkyl group at the 3-position in solution and in the crystal were investigated in detail.
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design

Effect of computationally designed fragment-based analogs on the RBD–ACE2 complex of the SARS-CoV-2 P.1 variant

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00193H, Paper
Surabhi Lata, Mohd. Akif
Modulation of the RBD–ACE2 complex formation and perturbation in their interface by the designed analogs.
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design

A molecular-design approach for selective sulfate separation from competitive acidic and alkaline aqueous media

Mol. Syst. Des. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4ME00031E, Review Article
Arghya Basu, Sandeep Kumar Dey
Selective and efficient removal of sulfate from aqueous solution having a high concentration of other competing ions is an important aspect of separation science technology and has attracted considerable attention...
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design

Design and engineering of an artificial disulfide bond in human cytochrome c to regulate the protein structure and function

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00196B, Paper
Yan-Yan Li, Yu Feng, Lu Yu, Shuang-Shuang Long, Shu-Qin Gao, Ying-Wu Lin
An artificial disulfide bond was rationally constructed in human cytochrome c (hCyt c) via double mutations (A51C/G77C), which weakened the coordination of Met80 to the heme iron and enhanced the peroxidase activity of hCyt c.
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design

Materials designed to degrade: structure, properties, processing, and performance relationships in polyhydroxyalkanoate biopolymers

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00623B, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jessica N. Lalonde, Ghanshyam Pilania, Babetta L. Marrone
A materials tetrahedron framework is applied to PHA biopolymers to highlight design challenges and frame potential future research exploring structure, property, processing, and performance relationships.
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design

Scalable design of uniform oligourethanes for impact study of chain length, sequence and end groups on thermal properties

Polym. Chem., 2024, 15,4319-4326
DOI: 10.1039/D4PY01001A, Paper
Open Access
Jens Van Hoorde, Nezha Badi, Filip E. Du Prez
A bidirectional growth-based protocol is used for the synthesis of a series of sequence-defined oligourethanes in large scale (50 g). The effect of chain length, sequence and end group functionalities on the thermal properties is evaluated.
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design

Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00722K, Paper
Yong-Qing Li, Gui-Ping Cao, Yu-Cai Cao
From a practical perspective, it is important to maintain or increase the mechanical properties of functional ethylene copolymers to those of nonpolar polyethylene (PE).
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design

Sulfur–tetrazine as highly efficient visible-light activatable photo-trigger for designing photoactivatable fluorescence biomolecules

J. Mater. Chem. B, 2024, 12,10839-10849
DOI: 10.1039/D4TB01817F, Communication
Shudan Yang, Mengxi Zhang, Axel Loredo, David Soares, Yulun Wu, Han Xiao
Light-activated fluorescence represents a potent tool for investigating subcellular structures and dynamics, offering enhanced control over the temporal and spatial aspects of the fluorescence signal.
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design

Research Progress of Nitroxide Radical-Based MRI Contrast Agents: From Structure Design to Application

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB02272F, Review Article
Tao Luo, Bo Wang, Runxin Chen, Qi Qi, Ruodai Wu, Shunzi Xie, Hanbing Chen, Jialei Han, Dalin Wu, Shuaishuai Cao
Magnetic resonance imaging (MRI) remains a cornerstone of diagnostic imaging, offering unparalleled insights into anatomical structures and pathological conditions. Gadolinium-based contrast agents have long been the standard in MRI enhancement,...
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design

Weaving Connections: British designer William Morris’s colonial inspirations

The handcrafted colourful textiles of South Asia appealed immensely to the celebrated 19th-century craftsperson and polymath. A new exhibition of his works highlights these influences




design

Designs on the future — patterning a new India

On India’s 75th Independence Day, can cultivating a design-backed ecosystem put the country on a steep growth path?




design

Towards the rational design of N-(1,3-dimethylbutyl)-N'-phenyl-1,4-benzenediamine (6PPD) electrochemical sensor

Analyst, 2024, 149,5165-5173
DOI: 10.1039/D4AN00973H, Paper
Emily Dominique, Christophe Renault
The strong adsorption of 6PPD onto glassy carbon and its reversible two electron oxidation enables simple and sensitive electrochemical detection with an LOD of 10 nM.
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design

Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water

Analyst, 2024, 149,5563-5571
DOI: 10.1039/D4AN01127A, Paper
Zhentao Sun, Youquan Zhao, Yameng Liu, Chen Chen, Hao Chen
A paper-based microfluidic disc is used for the rapid determination of various nutrients in water.
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design

Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03392B, Paper
Yi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan Huang
Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...
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design

Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03988B, Paper
Nadezhda Andreeva, Vitaly V. Chaban
Metalized-film dielectric capacitors provide lump portions of energy on demand. While the capacities of various capacitor designs are comparable in magnitude, their stabilities make a difference. Dielectric breakdowns – micro-discharges...
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design

Structure and dynamics of aqueous VOSO4 solutions in conventional flow through cell design: a molecular dynamics simulation study

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02934H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anwesa Karmakar
A theoretical model has been proposed to study the structure and dynamics of aqueous vanadyl sulfate (VOSO4) solution used in the conventional flow (CF) through cell design operating under varying thermodynamic conditions.
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design

What is your design philosophy?

City-based Neeras Design Studio completes a year in the elite interiors segment.Sadhana Srinivasan, CEO, who studied design at the Inchbald School of Design talks to Lakshmi Krupa about the luxury market, international brands and more…



  • Q & A


design

3 Essential Design Trends, October 2024

You have to get creative when you lack a strong visual. This month's design trends roundup focuses on this concept.





design

Top 11 WordPress Themes for Web Designers in 2024

A WordPress theme that doesn’t look modern, doesn’t come with built-in flexibility, and with a developer that doesn’t support it can spell trouble for you down the line. Your website’s design needs to adapt and evolve alongside the business it represents.




design

3 Essential Design Trends, November 2024

Touchable texture, distinct grids, and two-column designs are some of the most trending website design elements of November 2024.




design

Emerging polymeric materials for treatment of oral diseases: design strategy towards a unique oral environment

Chem. Soc. Rev., 2024, 53,3273-3301
DOI: 10.1039/D3CS01039B, Review Article
Open Access
Bo Jia, Beibei Zhang, Jianhua Li, Jinlong Qin, Yisheng Huang, Mingshu Huang, Yue Ming, Jingjing Jiang, Ran Chen, Yufen Xiao, Jianzhong Du
We highlight the recent progress and design strategies of polymeric materials with tailored functions to overcome the highly movable and wet, microbial and inflammatory environment in the oral cavity for treatment of oral diseases.
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design

Bioinspired hydrogels: polymeric designs towards artificial photosynthesis

Chem. Commun., 2024, 60,13314-13324
DOI: 10.1039/D4CC04033C, Feature Article
Open Access
Reina Hagiwara, Ryo Yoshida, Kosuke Okeyoshi
This Feature Article outlines the design of polymer networks for water splitting induced by visible light to develop artificial chloroplasts. The network serves as a mediator for photoinduced electron transfer among precisely organised molecules.
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design

The structural, electronic and thermodynamic properties of the designed p-benzoquinone based dicationic ionic liquids: insight from DFT–GD3 and QTAIM

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00119B, Paper
Hossein Roohi, Sajedeh Habibipour, Khatereh Ghauri
In this work, physicochemical properties of the dicationic ionic liquids [BTAD][A1–8]2 ([BTAD]2+ = [p-C6O2(N3H2)2]2+ and A1–8 = [CH3CO2], [CF3CO2], [N(CN)2], [CF3SO3], [ClO4], [BF4], [NTf2] and [PF6]) were theoretically investigated.
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design

Computational-assisted molecular design, synthesis and application of benzobisthiadiazole-based near-infrared dye in electrowetting displays

Mol. Syst. Des. Eng., 2024, 9,1144-1154
DOI: 10.1039/D4ME00115J, Paper
Junheng Chen, Haoteng Lin, Xintong Wang, Dinggui He, Baoyi Luo, Yuanyuan Guo, Wangqiao Chen, Guofu Zhou
Computational-assisted molecular design of benzobisthiadiazole-based donor–acceptor–donor type near-infrared dyes, their synthesis and application as colored inks in electrowetting displays.
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design

Design strategy and molecular level understanding: hole transport materials with suitable transition dipole orientation for OLEDs

Mol. Syst. Des. Eng., 2024, 9,1116-1129
DOI: 10.1039/D3ME00127J, Paper
Krishan Kumar, Sunil Kumar, Anirban Karmakar, Dipanshu Sharma, Feng-Rong Chen, Mangey Ram Nagar, Jwo-Huei Jou, Subrata Banik, Subrata Ghosh
A combined experimental and theoretical study on a group of phenothiazine-substituted pyridine is reported.
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design

Design and synthesis of core shells HZSM-5@MCM-41 with variable acidity and mesoporosity for lignin-catalyzed fast pyrolysis to prepare aromatics

New J. Chem., 2024, 48,7235-7243
DOI: 10.1039/D4NJ00530A, Paper
Yiwen Dai, Bin Guan, Xingxiang Wang, Jiaqi Liu, Zehua Huang, Bin Dai, Jichang Liu, Jiangbing Li
In this study, a uniform micro/mesoporous core–shell composite HZSM-@MCM-41 comprising zeolite was successfully prepared by coating mesoporous MCM-41 shells on nanosized ZSM-5 cores using a two-step hydrothermal method.
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design

Design, synthesis, and biological evaluation of a 99mTc-labeled small-molecule tracer for PD-L1 imaging

New J. Chem., 2024, 48,7300-7307
DOI: 10.1039/D3NJ05843C, Paper
Chunxiong Lu, Dandan Zhu, Peng Zhou, Kangxia Yu, Yaling Liu, Hongyong Wang, Hao Wu, Jun Wu, Guoqing Han, Pei Zou
Illustration of [99mTc]Tc-SG2C-CBM for imaging PD-L1.
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design

Design and synthesis of few-layer molybdenum oxide selenide encapsulated in a 3D interconnected nitrogen-doped carbon anode toward high-performance sodium storage

New J. Chem., 2024, 48,7370-7378
DOI: 10.1039/D4NJ00389F, Paper
Yonghong Qin, Shahriman Zainal Abidin, Azhari Bin Md Hashim, Oskar Hasdinor Hassan, Xiaojun Zhao
Novel few-layered MoO3–MoSe2 encapsulated in a 3D NC skeleton is constructed to improve the electrochemical performances of SIBs.
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design

Design of Fe and N co-decorated biomass-derived hierarchical porous carbon frameworks with boosted oxidase-like activity for hydroquinone detection

New J. Chem., 2024, 48,7197-7204
DOI: 10.1039/D4NJ00509K, Paper
Han Zhang, Xiaodan Qi, Zhifei Wang, Lihua Jin, Yehua Shen
An Fe and N co-decorated biomass-derived porous carbon framework with boosted oxidase-like activity was prepared and applied to sensitive hydroquinone detection.
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design

Unraveling the inhibitory potential of Rosetta designed de novo cyclic peptides on PARP7 through molecular dynamics simulations

New J. Chem., 2024, 48,7347-7355
DOI: 10.1039/D4NJ00016A, Paper
Yuqi Zhu, Aamir Mehmood, Daixi Li
Cyclic peptides have the characteristics of antibodies and small molecules and have better advantages over small molecules.
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design

Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns

CrystEngComm, 2024, 26,1952-1961
DOI: 10.1039/D4CE00010B, Paper
Showkat Rashid, Ahmad Husain, Bilal A. Bhat, Goverdhan Mehta
This article examines C–H⋯O and O–H⋯O hydrogen-bonded patterns in polyoxygenated decalins, showcasing varied supramolecular architectures influenced by oxyfunctionalisation and surrogate carbonate groups.
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design

WhatsApp to roll out redesigned keyboard

WhatsApp redesigned keyboard will include the emoji category bar




design

Tessolve to acquire German chip design company for up to ₹400 crore

It will expand Tessolve’s European operations by adding four delivery locations across Germany and the Netherlands, including a specialized ADAS and imaging centre-of-excellence lab




design

Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs

Org. Biomol. Chem., 2024, Advance Article
DOI: 10.1039/D4OB00040D, Paper
Sidra Siddique, Khalid Hussain, Naureen Shehzadi, Muhammad Arshad, Muhammad Nadeem Arshad, Sadaf Iftikhar, Farhat Saghir, Ayisha Shaukat, Muhammad Sarfraz, Nisar Ahmed
Despite the high global prevalence, rheumatoid arthritis lacks a satisfactory treatment.
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